N-(3-aminophenyl)-3-hexoxypropanamide

C15H24N2O2 — CID 28995658

IUPACN-(3-aminophenyl)-3-hexoxypropanamide
SMILESCCCCCCOCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-10-19-11-9-15(18)17-14-8-6-7-13(16)12-14/h6-8,12H,2-5,9-11,16H2,1H3,(H,17,18)
InChIKeyXNVYZGNODGSPMX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.19
Rot. Bonds9

About N-(3-aminophenyl)-3-hexoxypropanamide

N-(3-aminophenyl)-3-hexoxypropanamide (PubChem CID 28995658) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-hexoxypropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-hexoxypropanamide
PubChem CID28995658
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(3-aminophenyl)-3-hexoxypropanamide
SMILESCCCCCCOCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-10-19-11-9-15(18)17-14-8-6-7-13(16)12-14/h6-8,12H,2-5,9-11,16H2,1H3,(H,17,18)
InChIKeyXNVYZGNODGSPMX-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219
N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide
CID 106446919
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939
N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995330
N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16786452
N-(3-aminophenyl)-4-butan-2-yloxybutanamide
CID 54943755
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide
CID 16795647

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-hexoxypropanamide?
The IUPAC name of N-(3-aminophenyl)-3-hexoxypropanamide (CID 28995658) is N-(3-aminophenyl)-3-hexoxypropanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-hexoxypropanamide?
The canonical SMILES for N-(3-aminophenyl)-3-hexoxypropanamide is CCCCCCOCCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-hexoxypropanamide?
The InChIKey is XNVYZGNODGSPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-5-10-19-11-9-15(18)17-14-8-6-7-13(16)12-14/h6-8,12H,2-5,9-11,16H2,1H3,(H,17,18).
What are the key properties of N-(3-aminophenyl)-3-hexoxypropanamide?
N-(3-aminophenyl)-3-hexoxypropanamide has a molecular weight of 264.37 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-hexoxypropanamide is sourced from PubChem (CID 28995658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).